Information card for entry 7059638

Structure parameters

• Formula: C24 H48 N4 O2 P2 S2 Zn
• Calculated formula: C24 H48 N4 O2 P2 S2 Zn
• SMILES: [Zn]12(SC(=NP(=[O]1)(C(C)C)C(C)C)N1CCCCC1)SC(=NP(=[O]2)(C(C)C)C(C)C)N1CCCCC1
• Title of publication: Zinc(ii) and cadmium(ii) complexes, [M(iPr2P(X)NC(Y)NC5H10-κ2-X,Y)2] (X and Y = O, S), as single source precursors for metal sulfide thin films
• Authors of publication: Flores-Romero, Víctor; García-Guzmán, Oscar L.; Aguirre-Bautista, Alejandra; Rojas-Montoya, Iván D.; García-Montalvo, Verónica; Rivera, Margarita; Jiménez-Sandoval, Omar; Muñoz-Hernández, Miguel-Ángel; Hernández-Ortega, Simón
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 10367 - 10379
• a: 11.9623 ± 0.0002 Å
• b: 11.1902 ± 0.0002 Å
• c: 23.594 ± 0.0003 Å
• α: 90°
• β: 91.54 ± 0.001°
• γ: 90°
• Cell volume: 3157.16 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No